[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-19-22(13-8-14-23(19)28(30)31)25(29)27-17-15-26(16-18-27)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,24H,15-18H2,1H3/p+1